4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Chemical Structure Depiction of
4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Compound characteristics
| Compound ID: | 4896-3266 |
| Compound Name: | 4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccc(cc3)O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6686 |
| logD: | 3.6663 |
| logSw: | -3.9735 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.914 |
| InChI Key: | CXQOOSUYYIPBGI-KRWDZBQOSA-N |